SCHEMBL2872113

SCHEMBL2872113

O=P(O)(O)Cc1ccc(Cc2cc3ccccc3o2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
GLS O94925 2/20 0.38
FLT3 P36888 1/20 0.37
PIN1 Q13526 1/20 0.37
MAOB P27338 1/20 0.37
HPGD P15428 2/20 0.36
TYR P14679 1/20 0.36
DAO P14920 1/20 0.36
AKR1B1 P15121 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC5A2 P31639 1/20 0.36
ACP3 P15309 1/20 0.36
CYP19A1 P11511 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2863490 0.83 AGXT (0.44) AGXTLOXL2ESR1ESR2GLS
SCHEMBL915192 0.82 LOXL2 (0.55) AGXTLOXL2ESR1ESR2FLT3
SCHEMBL1680581 0.81 LOXL2 (0.50) AGXTLOXL2ESR1ESR2GLS
SCHEMBL2870978 0.78 LOXL2 (0.50) AGXTLOXL2ESR1ESR2GLS
SCHEMBL4156335 0.75 AGXT (0.48) AGXTLOXL2ESR1ESR2GLS
SCHEMBL2861535 0.75 LOXL2 (0.50) AGXTLOXL2ESR1ESR2GLS
SCHEMBL2871098 0.74 CYP2A6 (0.50) AGXTLOXL2GLSAKR1B1SLC5A2
SCHEMBL2863444 0.73 TP53 (0.44) AGXTLOXL2FLT3HTR1AHTR2B
SCHEMBL14075637 0.73 LOXL2 (0.69) AGXTLOXL2ESR1ESR2FLT3
SCHEMBL1325816 0.69 MMP2 (0.54) MAOBHPGDTYRDAOAKR1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R AGXT 3287/4885LOXL2 4648/4885ESR1 105/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.